探讨多糖抗胃溃疡的潜在机制:网络药理学分析和分子对接验证

Jia-Yu Huang, Qi Zou, Ming Hao, Jian-Lin Shen, Meng-Tong Zhang, Fei Li, Quan-Sheng Xu, Han-Yue Zhang, Jun Zhang, Xiao-Yin Wang
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引用次数: 0

摘要

胃溃疡是一种常见的消化性溃疡,严重影响人体健康和生活质量。由于抗胃溃疡药物通常有副作用,多糖具有较好的疗效和较低的毒性,可能是潜在的替代品。多糖的抗胃溃疡作用已被广泛报道,但其作用机制尚未明确。本研究通过网络药理学分析,探索多糖抗胃溃疡的潜在机制,并通过分子对接对结果进行验证。结果表明,β-葡聚糖、阿拉伯半乳聚糖、木聚糖和阿拉伯聚糖是关键结构,ABL1、AKT1、雄性激素受体、表皮生长因子受体、v-Ha-ras哈维大鼠肉瘤病毒癌基因同源物、HSP90AA1、丝裂原活化蛋白激酶8 (MAPK8)、MAPK14、NOS2、PIK3R1、RAC1、ras同源基因家族成员A和原癌基因酪氨酸蛋白激酶Src是多糖治疗胃溃疡的核心靶点。多糖对1958个GO项目和199个KEGG通路有影响,其抗胃溃疡活性与MAPK、Ras、PI3K-Akt、血管内皮生长因子、催乳素、FoxO和Rap1等信号通路有关。分子对接验证表明,网络药理学分析结果可信,并观察到多糖结构与核心靶点之间的相互作用。本研究有助于了解多糖治疗胃溃疡的作用机制,为今后抗胃溃疡活性筛选和机制研究提供参考。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Exploring the potential mechanisms of polysaccharides against gastric ulcer: Network pharmacology analysis and molecular docking validation

Exploring the potential mechanisms of polysaccharides against gastric ulcer: Network pharmacology analysis and molecular docking validation

Gastric ulcer is a common peptic ulcer that affects human health and life quality seriously. As anti-gastric ulcer drugs usually cause side-effects, polysaccharides may be the potential alternatives because of better effectiveness and less toxicity. Although the anti-gastric ulcer activities of polysaccharides have been widely reported, the mechanisms have not yet been well-disclosed. In this study, network pharmacology analysis was performed to explore the potential mechanisms of polysaccharides against gastric ulcer, and the results were validated by molecular docking. Results indicated that β-glucan, arabinogalactan, xylan, and arabinan were the key structures, and ABL1, AKT1, androgen receptor, epidermal growth factor receptor, v-Ha-ras Harvey rat sarcoma viral oncogene homolog, HSP90AA1, mitogen-activated protein kinase 8 (MAPK8), MAPK14, NOS2, PIK3R1, RAC1, ras homolog gene family member A, and proto-oncogene tyrosine-protein kinase Src were the core targets for polysaccharides in treating gastric ulcer. Polysaccharides have influences on 1958 GO items and 199 KEGG pathways, and their anti-gastric ulcer activities are related to MAPK, Ras, PI3K-Akt, vascular endothelial growth factor, prolactin, FoxO and Rap1 signaling pathways, etc. Molecular docking validation showed that the results of network pharmacology analysis were credible, and interactions between polysaccharide structures and core targets were observed. This study contributes to understanding the mechanisms of polysaccharides in treating gastric ulcer and provides references for future activity screening and mechanism research in anti-gastric ulcer.

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